ChemicalDetail: Details for an Individual Chemical

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Chemical ID: 7659037

Chemical ID:

7659037

Name [?]:

None

SMILES [?]:

Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3cc[nH]n3

InChi [?]:

InChI=1/C14H12Cl2N4/c1-9-18-14(13-5-6-17-19-13)8-20(9)7-10-11(15)3-2-4-12(10)16/h2-6,8H,7H2,1H3,(H,17,19)

InChi Info:

AuxInfo=1/1/N:1,11,10,12,17,18,7,5,2,8,9,13,16,4,15,14,19,3,20,6/E:(3,4)(11,12)(15,16)/rA:20nCCNCCNCCCCCCCClClCCCNN/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s9;s4;s16;d17;s18;d16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₂Cl₂N₄
All Atoms:	32
Heavy Atoms:	20
Chiral Atoms:	None

ZAP Information [?]

Total:	9.77311
Area:	483.398
Solvation:	-2.31184
Coulombic:	-22.0594

Bond Count [?]

All:	22
Single:	15
Double:	7
Rotors:	3
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.41
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value